6-(naphthalen-2-ylamino)hexanoic acid

C16H19NO2 — CID 14979105

IUPAC6-(naphthalen-2-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c18-16(19)8-2-1-5-11-17-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,17H,1-2,5,8,11H2,(H,18,19)
InChIKeyKMSXTPLHIMFBSV-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.90
Rot. Bonds7

About 6-(naphthalen-2-ylamino)hexanoic acid

6-(naphthalen-2-ylamino)hexanoic acid (PubChem CID 14979105) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 6-(naphthalen-2-ylamino)hexanoic acid.

Molecular Properties

Compound Name6-(naphthalen-2-ylamino)hexanoic acid
PubChem CID14979105
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name6-(naphthalen-2-ylamino)hexanoic acid
SMILESO=C(O)CCCCCNc1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c18-16(19)8-2-1-5-11-17-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,17H,1-2,5,8,11H2,(H,18,19)
InChIKeyKMSXTPLHIMFBSV-UHFFFAOYSA-N
XLogP3.90
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
5-anilinopentanoic acid
CID 28972030
N-hexadecylnaphthalen-2-amine
CID 12796089
N'-naphthalen-2-ylhexane-1,6-diamine
CID 83955962
6-(1-benzothiophen-5-ylamino)hexanoic acid
CID 65476249
5-(3,4-difluoroanilino)pentanoic acid
CID 28972140
N-(4-phenylbutyl)naphthalen-2-amine
CID 114333200
6-[[(Z)-2-cyano-3-(naphthalen-2-ylamino)prop-2-enoyl]amino]hexanoic acid
CID 108845258
N-(5-methylsulfanylpentyl)naphthalen-2-amine
CID 114127751
4-(1H-indol-5-ylamino)butanoic acid
CID 82539531
10-naphthalen-2-yldecanoic acid
CID 21478009
4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid
CID 154809748

Frequently Asked Questions

What is the IUPAC name of 6-(naphthalen-2-ylamino)hexanoic acid?
The IUPAC name of 6-(naphthalen-2-ylamino)hexanoic acid (CID 14979105) is 6-(naphthalen-2-ylamino)hexanoic acid.
What is the SMILES notation for 6-(naphthalen-2-ylamino)hexanoic acid?
The canonical SMILES for 6-(naphthalen-2-ylamino)hexanoic acid is O=C(O)CCCCCNc1ccc2ccccc2c1.
What is the InChIKey of 6-(naphthalen-2-ylamino)hexanoic acid?
The InChIKey is KMSXTPLHIMFBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16(19)8-2-1-5-11-17-15-10-9-13-6-3-4-7-14(13)12-15/h3-4,6-7,9-10,12,17H,1-2,5,8,11H2,(H,18,19).
What are the key properties of 6-(naphthalen-2-ylamino)hexanoic acid?
6-(naphthalen-2-ylamino)hexanoic acid has a molecular weight of 257.33 g/mol, XLogP of 3.90, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(naphthalen-2-ylamino)hexanoic acid is sourced from PubChem (CID 14979105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).